Search Results (2,211)

This study introduces an efficient and sustainable catalytic system utilizing cobalt ferrite nanoparticles (CoFe₂O₄-NPs) for the synthesis of valuable 6-amino-2-oxo-4-phenyl (or 4-chlorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives. Recognizing the limitations of traditional methods for the Biginelli reaction, we thoroughly characterized CoFe₂O₄-NPs, alongside individual iron oxide nanoparticles (Fe₂O₃-NPs) and cobalt oxide nanoparticles (CoO-NPs), using FTIR, XRD, TEM, SEM, XPS, TGA, and BET analysis. These characterizations revealed the unique structural, morphological, and physicochemical properties of CoFe₂O₄-NPs, including an optimized porous structure and significant bimetallic synergy between Fe and Co ions. Catalytic studies demonstrated that CoFe₂O₄-NPs significantly outperformed individual Fe₂O₃-NPs and CoO-NPs under mild conditions. While the latter only catalyzed the Knoevenagel condensation, CoFe₂O₄-NPs uniquely facilitated the complete Biginelli reaction. This superior performance is attributed to the synergistic electronic environment within CoFe₂O₄-NPs, which enhances reactant activation, intermediate stabilization, and proton transfer during the multi-step reaction. This work highlights the potential of CoFe₂O₄-NPs as highly efficient and selective nanocatalysts for synthesizing biologically relevant 1,2,3,4-tetrahydropyrimidines, offering a greener synthetic route in organic chemistry. Full article

This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts—specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation energies and stabilizing catalytic functionality. Particular attention is given to catalyst deactivation mechanisms and potential regeneration strategies. The application of molecular modeling and chemical engineering analyses, including reaction kinetics, thermal effects, and mass and heat transport phenomena, is identified as essential for R&D_HeCaTe. Reactor configuration is discussed in relation to key physicochemical parameters such as molecular diffusivity, reaction exothermicity, operating temperature and pressure, and the phase and “aggressiveness” of the reaction system. Suitable reactor types—such as suspension reactors, fixed-bed reactors, and flow microreactors—are evaluated accordingly. Economic and environmental considerations are also addressed, with a focus on the complexity of reactions, selectivity versus conversion trade-offs, catalyst disposal, and separation challenges. To illustrate the breadth and applicability of the proposed framework, representative industrial processes are discussed, including ammonia synthesis, fluid catalytic cracking, methanol production, alkyl tert-butyl ethers, and aniline. Full article

Industrial catalysts are accelerating the global transition toward renewable energy, serving as enablers for innovative technologies that enhance efficiency, lower costs, and improve environmental sustainability. This review explores the pivotal roles of industrial catalysts in hydrogen production, biofuel generation, and biomass conversion, highlighting their transformative impact on renewable energy systems. Precious-metal-based electrocatalysts such as ruthenium (Ru), iridium (Ir), and platinum (Pt) demonstrate high efficiency but face challenges due to their cost and stability. Alternatives like nickel-cobalt oxide (NiCo₂O₄) and Ti₃C₂ MXene materials show promise in addressing these limitations, enabling cost-effective and scalable hydrogen production. Additionally, nickel-based catalysts supported on alumina optimize SMR, reducing coke formation and improving efficiency. In biofuel production, heterogeneous catalysts play a crucial role in converting biomass into valuable fuels. Co-based bimetallic catalysts enhance hydrodeoxygenation (HDO) processes, improving the yield of biofuels like dimethylfuran (DMF) and γ-valerolactone (GVL). Innovative materials such as biochar, red mud, and metal–organic frameworks (MOFs) facilitate sustainable waste-to-fuel conversion and biodiesel production, offering environmental and economic benefits. Power-to-X technologies, which convert renewable electricity into chemical energy carriers like hydrogen and synthetic fuels, rely on advanced catalysts to improve reaction rates, selectivity, and energy efficiency. Innovations in non-precious metal catalysts, nanostructured materials, and defect-engineered catalysts provide solutions for sustainable energy systems. These advancements promise to enhance efficiency, reduce environmental footprints, and ensure the viability of renewable energy technologies. Full article

Specific venom immunotherapy (VIT) in patients with hymenoptera venom allergy (HVA) represents a well-studied approach to reduce the severity of a possible anaphylactic reaction. Currently, data on mechanisms of tolerance induction at the cellular level within the first hours of therapy are lacking. To address this, total and unoccupied high-affinity IgE receptor (FcεRI) numbers per basophil, soluble FcεRI (sFcεRI) and serum tryptase levels were measured before and after the first day of VIT induction in HVA patients. Additionally, basophil activation tests (BATs) were performed at those time points. In the early phase of VIT induction, no significant change in total FcεRI receptor density on basophils was observed, but a significant increase in unoccupied FcεRI was noticeable, predominantly in patients with high total IgE and low baseline unoccupied FcεRI density. No meaningful difference in serum tryptase levels or sFcεRI levels was observed after VIT induction. BATs showed heterogeneous results, often unchanged before and after VIT (in 47% of the cases), sometimes increased (in 40%) and only rarely decreased EC₅₀ sensitivity (in 13%). Changes in the BAT EC₅₀ correlated with FcεRI receptor density changes in basophils. In summary, VIT induction led to an increased ratio of unoccupied-to-total FcεRI without notable tryptase or sFcεRI serum elevation, pointing towards subthreshold cell activation with receptor internalization and recycling. However, the mostly unchanged or even increased basophil sensitivity in EC₅₀ calls for further research to clarify the clinical relevance of these rapid receptor modulations. Full article

The precise synthesis of non-precious metal single-atom electrocatalysts is crucial for enhancing the yield of highly active reactive oxygen species (ROSs). Conventional oxidation methods, such as Fenton or NaClO processes, suffer from poor efficiency, high energy demand, and secondary pollution. In contrast, heterogeneous electro-Fenton systems based on cascade oxygen reduction reactions (ORRs), which require low operational voltage and cause pollutant degradation through both direct electron transfer and ROS generation, have emerged as a promising alternative. Recent studies showed that carbon cathodes decorated with atomically dispersed transition metals can effectively integrate the excellent conductivity of carbon supports with the tunable surface chemistry of metal centers. However, the electronic structure of active sites intrinsically hinders the simultaneous achievement of high activity and selectivity in cascade ORRs. This review summarizes the advances, specifically from 2020 to 2025, in understanding the mechanism of cascade ORRs and the synthesis of transition metal-based single-atom catalysts in cathode electrocatalysis for efficient wastewater treatment, and discusses the key factors affecting treatment performance. While employing atomically engineered cathodes is a promising approach for energy-efficient wastewater treatment, future efforts should overcome the barriers in active site control and long-term stability of the catalysts to fully exploit their potential in addressing water pollution challenges. Full article

Catalytic and bioelectrocatalytic properties of four white rot fungal laccases (Trametes hirsuta, ThL; Coriolopsis caperata, CcL; Steccherinum murashkinskyi, SmL; and Antrodiella faginea, AfL) from different orthologous groups were comparatively studied in homogeneous reactions of electron donor substrate oxidation and in a heterogeneous reaction of dioxygen electroreduction. The ThL and CcL laccases belong to high-redox-potential enzymes (E⁰_T1 = 780 mV), while the AfL and SmL laccases are medium-redox-potential enzymes (E⁰_T1 = 620 and 650 mV). We evaluated the efficiency of laccases in mediatorless bioelectrocatalytic dioxygen reduction by the steady-state potential (E_ss), onset potential (E_onset), half-wave potential (E_1/2), and the slope of the linear segment of the polarization curve. A good correlation was observed between the T1 center potential of the laccases and their electrocatalytic characteristics; however, no correlation with the homogeneous reactions of electron donor substrates’ oxidation was detected. The results obtained are discussed in the light of the known data on the three-dimensional structures of the laccases studied. Full article

Nowadays, nanosized mesoporous oxides are of increasing interest to scientists. They can be used as components of heterogeneous catalysts, for photo- and electrocatalysis, as gas sensors, etc. For instance, the desired properties in catalysts include a nano size and homogeneity of the particles that form the catalyst. The particle sizes of oxides are set at the initial stage of their formation, as precursors of precipitation in the context of wet chemistry. The creation of optimal conditions is possible through the use of homogeneous precipitation, where the precipitant is formed within the solution itself as a result of a hydrolysis reaction. The resolution of this issue involved the utilization of urea in our experimental setup, obtaining the hydrolysis products of ammonia and carbon dioxide. Consequently, precipitation reactions can be utilized to obtain hydroxides, carbonates, or hydroxy carbonates of metals. The precursors were calcined, obtaining nanosized mesoporous oxides, which can have a wide range of applications. Nanosized 0.1–50 nm metal oxides were obtained, including those aluminum, iron, indium, zinc, nickel, and cobalt. Full article

Steel pickling sludge serves as a valuable iron source for synthesizing Fe-based catalysts in heterogeneous advanced oxidation processes (AOPs). Here, MoS₂@CoFe₂O₄ catalyst derived from steel pickling sludge was prepared via a facile solvothermal approach and utilized to activate peroxymonosulfate (PMS) for tetracycline hydrochloride (TCH) degradation. Comprehensive characterization using scanning electron microscopy (SEM)-energy dispersive spectrometer (EDS), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) confirmed the supported microstructure, composition, and crystalline structure of the catalyst. Key operational parameters—including catalyst dosage, PMS concentration, and initial solution pH—were systematically optimized, achieving 81% degradation efficiency within 30 min. Quenching experiments and electron paramagnetic resonance (EPR) analysis revealed SO₄^∙− as the primary oxidative species, while the catalyst maintained high stability and reusability across cycles. TCH degradation primarily occurs through hydroxylation, decarbonylation, ring-opening, and oxidation reactions. This study presents a cost-effective strategy for transforming steel pickling sludge into a high-performance Fe-based catalyst, demonstrating its potential for practical AOP applications. Full article

This study presents the structural and compositional characterisation of a newly developed Ti55Al27Mo13 alloy synthesised via aluminothermic reaction. The alloy was designed to overcome the limitations of conventional processing routes for high–melting–point elements such as Ti and Mo, enabling the formation of a complex, multi–phase microstructure in a single high–temperature step. The aim was to develop and characterise a material with microstructural features expected to enhance wear resistance, oxidation behaviour, and thermal stability in future applications. The alloy is intended as a precursor for composite nanopowders and surface coatings applied to aluminium–, magnesium–, and iron–based substrates subjected to mechanical and thermal loading. Elemental analysis (XRF, EDS) confirmed the presence of Ti, Al, Mo, and minor elements such as Si, Fe, and C. Microstructural investigations using laser confocal and scanning electron microscopy revealed a heterogeneous structure comprising solid solutions, eutectic regions, and dispersed oxide and carbide phases. Notably, the alloy exhibits high hardness values, reaching >2400 HV in Al₂O₃ regions and ~1300 HV in Mo– and Si–enriched solid solutions. These results suggest the material’s substantial potential for protective surface engineering. Further tribological, thermal, and corrosion testing, conducted with meticulous attention to detail, will follow to validate its functional performance in target applications. Full article

The vast majority of photocatalysts find it difficult to consistently and stably exhibit high performance due to the variability of sunlight intensity within a day, as well as the high energy consumption of artificial light sources. In this study, mechanoluminescent Sr₂MgSi₂O₇:Eu,Dy phosphors is combined with NiS@g-C₃N₄ composite to construct a ternary heterogeneous photocatalytic system, denoted as NCS. In addition to the enhanced separation efficiency of photogenerated charge carriers by the formation of a heterojunction, the introduction of Sr₂MgSi₂O₇:Eu,Dy provides an ultra-driving force for the photocatalytic reactions owing to its mechanoluminescence-induced excitation. Results show that the degradation rate of RhB increased significantly in comparison with pristine g-C₃N₄ and NiS@g-C₃N₄, indicating the obvious advantages of the ternary system for charge separation and migration. Moreover, the additional photocatalytic activity of NCS under ultrasound stimulation makes it a promising all-weather photocatalyst even in dark environments. This novel strategy opens up new horizons for the synergistic combination of light-driven and ultrasound-driven heterogeneous photocatalytic systems, and it also has important reference significance for the design and application of high-performance photocatalysts. Full article

Esterification is a key transformation in the production of lubricants, pharmaceuticals, and fine chemicals. Conventional processes employing homogeneous acid catalysts suffer from limitations such as corrosive byproducts, energy-intensive separation, and poor catalyst reusability. This review provides a comprehensive overview of heterogeneous catalytic systems, including ion exchange resins, zeolites, metal oxides, mesoporous materials, and others, for improved ester synthesis. Recent advances in membrane-integrated reactors, such as pervaporation and nanofiltration, which enable continuous water removal, shifting equilibrium and increasing conversion under milder conditions, are reviewed. Dual-functional membranes that combine catalytic activity with selective separation further enhance process efficiency and reduce energy consumption. Enzymatic systems using immobilized lipases present additional opportunities for mild and selective reactions. Future directions emphasize the integration of pervaporation membranes, hybrid catalyst systems combining biocatalysts and metals, and real-time optimization through artificial intelligence. Modular plug-and-play reactor designs are identified as a promising approach to flexible, scalable, and sustainable esterification. Overall, the interaction of catalyst development, membrane technology, and digital process control offers a transformative platform for next-generation ester synthesis aligned with green chemistry and industrial scalability. Full article

The European plum (Prunus domestica L.) is a hexaploid species that is grown worldwide for its tasty fruits. Many pomological forms and varieties exist, and thus it is important for genebank curators, breeders, growers, and/or control authorities to distinguish them with certainty. The purpose of this study was to select and verify a set of simple sequence repeat (SSR) markers for reliable genotyping, and to optimize their use in a one-reaction format for easy routine practice. After testing 78 SSR markers from different diploid Prunus species, 8 SSR markers were selected, multiplexed, and successfully verified as being able to distinguish all 242 unique genotypes tested. The selected markers were relatively easily scored and highly heterogenic, giving more than 35 alleles/genotype on average. The allele atlas was created to become a valuable tool for allele calling that should lead to standardized and reliable genotyping results between laboratories. The population analysis confirmed high diversity of the Czech germplasm collection used. The kit was also successfully tested for diploid “plums” of various origins and interspecies hybrids, as these are sometimes phenotypically indistinguishable from hexaploid European plums. The one-tube approach substantially simplified the plum genotyping laboratory workflow, minimizes errors, and saves labor, time, and money. Full article

The fabrication and application of single-site heterogeneous reaction centers are new frontiers in chemistry. Single-site heterogeneous reaction centers are analogous to metal centers in enzymes and transition-metal complexes: they are charged and decorated with ligands and would exhibit superior reactivity and selectivity in chemical conversion. Such high reactivity would also result in significant response, such as a band gap or resistance change, to approaching molecules, which can be used for sensing applications. As a proof of concept, the electronic structure and reaction pathways with NO and NO₂ of Au(I) fragments dispersed on phosphorene (Pene) were investigated with first-principle-based calculations. Atomic-deposited Au atoms on Pene (Au₁-Pene) have hybridized Au states in the bulk band gap of Pene and a decreased band gap of 0.14 eV and would aggregate into clusters. Passivation of the Au hybrid states with -OH and -CH₃ forms thermodynamically plausible HO-Au₁-Pene and H₃C-Au₁-Pene and restores the band gap to that of bulk Pene. Inspired by this, HO-Au₁-Pene and H₃C-Au₁-Pene were examined for detection of NO and NO₂ that would react with -OH and -CH₃, and the resulting decrease of band gap back to that of Au₁-Pene would be measurable. HO-Au₁-Pene and H₃C-Au₁-Pene are highly sensitive to NO and NO₂, and their calculated theoretical sensitivities are all 99.99%. The reaction of NO₂ with HO-Au₁-Pene is endothermic, making the dissociation of product HNO₃ more plausible, while the barriers for the reaction of CH₃-Au₁-Pene with NO and NO₂ are too high for spontaneous detection. Therefore, HO-Au₁-Pene is not eligible for NO₂ sensing and CH₃-Au₁-Pene is not eligible for NO and NO₂ sensing. The calculated energy barrier for the reaction of HO-Au-Pene with NO is 0.36 eV, and the reaction is about thermal neutral, suggesting HO-Au-Pene is highly sensitive for NO sensing and the reaction for NO detection is spontaneous. This work highlights the potential superior sensing performance of transition-metal fragments and their potential for next-generation sensing applications. Full article

The DFT method was used to evaluate the adsorption of methyl radicals and the evolution of ethane on the M(111) (M = Co, Ni, Pd, Pt) surfaces, eight metal atoms, in aqueous medium. A maximum of five and four radicals can be adsorbed on Co(111) and Ni(111), respectively, and six on Pd(111) and Pt(111) (top site). The ethane evolution occurs via the Langmuir–Hinshelwood (LH) or Eley–Rideal (ER) mechanisms. The production of ethane through the interaction of two adsorbed radicals is thermodynamically feasible for high coverage ratios on the four surfaces; however, kinetically, it is feasible at room temperature only on Co(111) at a coverage of (5/5) and on Pd(111) at a coverage ratio of 4/6, 5/6, and 6/6. Ethane production occurs via the ER mechanism: a collision with solvated methyl radical produces either C₂H₆ or ${\mathrm{C}\mathrm{H}}_2^{\ast }+{\mathrm{C}\mathrm{H}}_{4\left(\mathrm{a}\mathrm{q}\right)}$. On Pd(111) the product is only C₂H₆, on Pt(111), both products (C₂H₆ or ${\mathrm{C}\mathrm{H}}_2^{\ast }$) are plausible, and on Co(111) and Ni(111), only ${\mathrm{C}\mathrm{H}}_2^{\ast }+{\mathrm{C}\mathrm{H}}_{4\left(\mathrm{a}\mathrm{q}\right)}$ is produced. Further reactions of ${\mathrm{C}\mathrm{H}}_2^{\ast }$ with ${\mathrm{C}\mathrm{H}}_2^{\ast }$ or ${\mathrm{C}\mathrm{H}}_3^{\ast }$ to give ${\mathrm{C}}_2{\mathrm{H}}_4^{\ast }$ or ${\mathrm{C}}_2{\mathrm{H}}_5^{\ast }$ are thermodynamically plausible only on Pt(111); however, they are very slow due to high energy barriers, 1.48 and 1.36 eV, respectively. Full article

The treatment of contaminants from road infrastructure poses significant challenges due to their variable composition and the high concentrations of chloride ions, heavy metals, and oil-derived substances. Traditional methods for protecting groundwater environments are often insufficient. A promising alternative is permeable reactive barrier (PRB) technology, which utilizes recycled materials and construction waste as reactive components within the treatment zone of the ground. This paper delves into the potential of employing a composite (MIX) consisting of modified construction aggregate (as recycled material) and activated carbon (example of reactive material) to address environmental contamination from a mixture of heavy metals and chloride. The research involved chemical modifications of the road aggregate, activated carbon, and their composite, followed by laboratory tests in glass reactors and non-flow batch tests to evaluate the kinetics and chemical equilibrium of the reactions. The adsorption process was stable and conformed to the pseudo-second-order kinetics and Langmuir, Toth, and Redlich–Peterson isotherm models. Studies using MIX from a heavy metal model solution showed that monolayer adsorption was a key mechanism for removing heavy metals, with strong fits to the Langmuir (R² > 0.80) and Freundlich models, and optimal efficiencies for Cd and Ni (R² > 0.90). The best fit, at Cd, Cu, Ni = 0.96, however, was with the Redlich–Peterson isotherm, indicating a mix of physical and chemical adsorption on heterogeneous surfaces. The Toth model was significant for all analytes, fitting Cl and Cd well and Pb and Zn moderately. The modifications made to the composite significantly enhanced its effectiveness in removing the contaminant mixture. The test results demonstrated an average reduction of chloride by 85%, along with substantial removals of heavy metals: lead (Pb) by 90%, cadmium (Cd) by 86%, nickel (Ni) by 85%, copper (Cu) by 81%, and zinc (Zn) by 79%. Further research should focus on the removal of other contaminants and the optimization of magnesium oxide (MgO) dosage. Full article